2-(bromomethyl)-1-[(4-dimethylaminophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide

Systemtic Name: 2-(bromomethyl)-1-[(4-dimethylaminophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide Openeye Name: 2-(bromomethyl)-1-[(4-dimethylaminophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide CAS Name: 2-(bromomethyl)-1-[(4-dimethylaminophenyl)methyl]-5-octadecoxy-4-pyridinone hydrobromide IUPAC Name: 2-(bromomethyl)-1-[(4-dimethylaminophenyl)methyl]-5-octadecoxypyridin-4-one hydrobromide Traditional Name: 2-(bromomethyl)-1-[4-(dimethylamino)benzyl]-5-stearyloxy-4-pyridone hydrobromide Formula: C33H54Br2N2O2 MolecularWeight: 670.60206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=C(C=C2)N(C)C.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=C(C=C2)N(C)C.Br

InChI

InChI=1S/C33H53BrN2O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-38-33-28-36(31(26-34)25-32(33)37)27-29-20-22-30(23-21-29)35(2)3;/h20-23,25,28H,4-19,24,26-27H2,1-3H3;1H